(1s 2 2s 2 2p 5 3d 1 ) 1 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | 2.696172 | 1.02530664 |
| 2 | 3d | 8.654767 | .01304816 |
| 3 | 4d | 3.346769 | -.02978520 |
| 4 | 5d | 21.652864 | -.00012273 |
| ORB.ENERGY,a.u. | -3.592900 | ||
| NORM | 1.000000 | < R > | 1.290707 | < R2 > | 1.910297 | < 1/R > | .909547 | < 1/R**2 > | 1.004754 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.896549 | 1.18312039 |
| 2 | 3p | 6.975176 | -.24931953 |
| 3 | 2p | 13.020220 | .06613038 |
| 4 | 4p | 15.656586 | .00946086 |
| 5 | 5p | 3.192032 | -.00032518 |
| 6 | 5p | 40.900962 | -.00013247 |
| ORB.ENERGY,a.u. | -13.457000 | ||
| NORM | 1.000000 | < R > | .386724 | < R2 > | .183720 | < 1/R > | 3.325585 | < 1/R**2 > | 15.259059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.571304 | .39287148 |
| 2 | 2s | 7.184707 | -.84356236 |
| 3 | 3s | 6.468601 | -.30586791 |
| 4 | 4s | 17.624632 | .00476658 |
| 5 | 3s | 18.744080 | .00695168 |
| 6 | 5s | 34.159407 | .00114991 |
| 7 | 5s | 5.898368 | -.00432555 |
| 8 | 4s | 41.093312 | .00031369 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .430124 | < R2 > | .218233 | < 1/R > | 3.403782 | < 1/R**2 > | 47.473203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183827 | .92696077 |
| 2 | 1s | 23.720966 | .06885140 |
| 3 | 2s | 10.141371 | .02130660 |
| 4 | 3s | 12.568860 | -.02159459 |
| 5 | 4s | 15.577658 | .01061133 |
| 6 | 5s | 40.683705 | .00070415 |
| 7 | 4s | 92.546803 | -.00003454 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576289 | < 1/R**2 > | 553.841569 |
Total Energy= -435.72244970 a.u.
Kinetic Energy= 435.59855273 a.u.
Potential Energy= -871.32100242 a.u.
Virial Ratio = -2.00028443